N,N',N''-(nitrilotris(ethane-2,1-diyl))tris(4-((trimethylsilyl)ethynyl)benzamide) | 1448008-05-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N,N',N''-(nitrilotris(ethane-2,1-diyl))tris(4-((trimethylsilyl)ethynyl)benzamide)
• CAS: 1448008-05-6
• 化学式: C₄₂H₅₄N₄O₃Si₃
• 分子量: 747.172
• InChiKey: KAIJJZCNPSKRME-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.27
• 重原子数：
  52.0
• 可旋转键数：
  12.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  90.54
• 氢给体数：
  3.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  (tetrahydrothiophene)gold(I) chloride 、 N,N',N''-(nitrilotris(ethane-2,1-diyl))tris(4-((trimethylsilyl)ethynyl)benzamide) 在 potassium fluoride 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 生成
  参考文献：
  名称：

  Highly Ag⁺ Selective Tripodal Gold(I) Acetylide-based “Off–On” Luminescence Chemosensors based on ³(ππ*) Emission Switching

  摘要：

  Newly prepared gold(I) acetylide-based luminescent cation sensors 1c and Id, which bear a novel three armed flexible conformation, together with control molecule 2c, were synthesized in four steps. 1c and id exhibit the pi -> pi* absorption of the acetylicle ligands in fluid solutions and produce the 3(pi pi*) emission of the acetylide ligands in the solid state and degassed THF solution. The 3(pi pi*) emission of 1c in DMSO can be turned on upon addition of Ag+. The binding ratio between 1c and Ag+ as well as the binding constant log K were determined as 11 and 4.35 +/- 0.12 respectively by UV-vis titration experiments The formation of [1c.Ag](+) adduct, which leads to the appearance of new up field peaks, was confirmed by NMR spectroscopic titrations. The control H-1 NMR titration experiments for the acetylide-free analogue la and single armed analogue 2c indicate the acetylide groups and tripodal structures are responsible for the binding of Ag+. The control experiment for tripodal gold(I) acetylide analogue id suggests the change of PPh3 with P(2-Py)Ph-2 induces similar binding affinity toward As but less selectivity toward Ag+. Free 1c also exhibits the anion binding affinity toward F, but the Ag+ adduct [1c.Ag](+) shows less affinity toward F-.

  DOI：

  10.1021/ic400791a
• 作为产物：
  描述：

  4-碘苯甲酰氯 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 二乙胺 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 N,N',N''-(nitrilotris(ethane-2,1-diyl))tris(4-((trimethylsilyl)ethynyl)benzamide)
  参考文献：
  名称：

  Highly Ag⁺ Selective Tripodal Gold(I) Acetylide-based “Off–On” Luminescence Chemosensors based on ³(ππ*) Emission Switching

  摘要：

  Newly prepared gold(I) acetylide-based luminescent cation sensors 1c and Id, which bear a novel three armed flexible conformation, together with control molecule 2c, were synthesized in four steps. 1c and id exhibit the pi -> pi* absorption of the acetylicle ligands in fluid solutions and produce the 3(pi pi*) emission of the acetylide ligands in the solid state and degassed THF solution. The 3(pi pi*) emission of 1c in DMSO can be turned on upon addition of Ag+. The binding ratio between 1c and Ag+ as well as the binding constant log K were determined as 11 and 4.35 +/- 0.12 respectively by UV-vis titration experiments The formation of [1c.Ag](+) adduct, which leads to the appearance of new up field peaks, was confirmed by NMR spectroscopic titrations. The control H-1 NMR titration experiments for the acetylide-free analogue la and single armed analogue 2c indicate the acetylide groups and tripodal structures are responsible for the binding of Ag+. The control experiment for tripodal gold(I) acetylide analogue id suggests the change of PPh3 with P(2-Py)Ph-2 induces similar binding affinity toward As but less selectivity toward Ag+. Free 1c also exhibits the anion binding affinity toward F, but the Ag+ adduct [1c.Ag](+) shows less affinity toward F-.

  DOI：

  10.1021/ic400791a

文献信息

• 一种可用于银离子传感识别的金炔基配合物及其制备方法与应用
  申请人：广州钰芯传感科技有限公司

  公开号：CN110698500A

  公开（公告）日：2020-01-17

  本发明提供了一种可用于银离子传感识别的金炔基配合物及其制备方法与应用。所述金炔基配合物的结构如式(1)所示。本发明的目标产物金炔基配合物使用2，6‑二甲基苯基异腈作为辅助配体，改善了配合物整体的阳离子识别性能，配合物对银离子具有良好的选择性与检测灵敏度，配合物与银离子的混合溶液在紫外灯下激发可发射出明亮的蓝色可见光，可应用于水相中的金炔基化学传感器。